CID 156961742

Undecanedioylcarnitine

Structural Information

Molecular Formula
C18H34NO6
SMILES
C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCCCCCCC(=O)O
InChI
InChI=1S/C18H33NO6/c1-19(2,3)14-15(13-17(22)23)25-18(24)12-10-8-6-4-5-7-9-11-16(20)21/h15H,4-14H2,1-3H3,(H-,20,21,22,23)/p+1
InChIKey
AIPDYTVRMUCXDC-UHFFFAOYSA-O
Compound name
[3-carboxy-2-(10-carboxydecanoyloxy)propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.23862 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.24590 185.9
[M+Na]+ 383.22784 191.0
[M+NH4]+ 378.27244 173.6
[M+K]+ 399.20178 167.2
[M-H]- 359.23134 182.2
[M+Na-2H]- 381.21329 183.9
[M]+ 360.23807 185.2
[M]- 360.23917 185.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.